SCHEMBL29173586

SCHEMBL29173586

Cn1cnc2c(-c3nc(C(=O)O)c(Nc4ccc(N5CCOCC5)cc4)nc3N)cncc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.41
▸ STAT6 P42226 4/20 0.39
▸ CCNA2 P20248 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ AURKA O14965 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCND3 P30281 1/20 0.39
▸ CDK6 Q00534 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ EML4 Q9HC35 1/20 0.38
▸ ALK Q9UM73 1/20 0.38
▸ ATR Q13535 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ SYK P43405 4/20 0.38
▸ JAK2 O60674 2/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ MAPKAPK5 Q8IW41 1/20 0.37
▸ CD63 P08962 1/20 0.37
▸ IGF1R P08069 1/20 0.37
▸ ABL1 P00519 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30205765 0.93 EML4 (0.45) STAT6CCNA2CDK2AURKACDK4
SCHEMBL24944729 0.93 EML4 (0.45) STAT6CCNA2CDK2AURKACDK4
SCHEMBL29173501 0.91 PIM1 (0.42) PIM1STAT6CCNA2CDK2AURKA
SCHEMBL29173582 0.90 PIM1 (0.41) PIM1STAT6CCNA2CDK2AURKA
SCHEMBL29173706 0.88 JAK2 (0.43) PIM1STAT6CCNA2CDK2AURKA
SCHEMBL30206091 0.88 JAK2 (0.43) PIM1STAT6CCNA2CDK2AURKA
SCHEMBL30205764 0.85 EML4 (0.45) STAT6CCNA2CDK2AURKACDK4
SCHEMBL24944959 0.85 EML4 (0.45) STAT6CCNA2CDK2AURKACDK4
SCHEMBL24943791 0.85 EML4 (0.48) CCNA2CDK2AURKACDK4CCND3
SCHEMBL24944955 0.83 EML4 (0.47) CCNA2CDK2AURKACDK4CCND3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117693503-A Substituted pyrazine-2-carboxamides as HPK1 inhibitors for the treatment of cancer 阿斯利康(瑞典)有限公司 2024-03-12 — — CN disclosed
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